Geometry & MOs

Info

ID:

193118

PubChem CID:

78346684

Reduced:

ClFN2O5C29H32 (1)

Stoich.:

ABC2D5E29F32 (1)

Weight, g/mol:

644.15557

ΔHf, kcal/mol:

-214.5

Dipole, Da:

4.64

IP(EA), eV:

 -9.26(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-benzyl-2-[(4-bromophenyl)sulfonyl-(oxolan-2-ylmethyl)amino]-N-[(6-methyl-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-3-yl)methyl]acetamide

Drug info:

PubChemData

Smile

COCCN(CC(=O)N(CC1=CC=C(C=C1)F)CC2=COC3CCCCC3C2=O)C(=O)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations